CID 169546216

Tert-butyl n-(5-amino-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)NC12CC(C1)(COC2)N

InChI

InChI=1S/C11H20N2O3/c1-9(2,3)16-8(14)13-11-4-10(12,5-11)6-15-7-11/h4-7,12H2,1-3H3,(H,13,14)

InChIKey

BCTRASQUJULAOY-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-amino-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.1474 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	229.154676	166.4
[M+Na]+	251.136618	169.2
[M-H]-	227.140124	165.1
[M+NH4]+	246.181223	183.6
[M+K]+	267.110558	173.1
[M+H-H2O]+	211.144660	158.0
[M+HCOO]-	273.145601	177.4
[M+CH3COO]-	287.161251	198.5
[M+Na-2H]-	249.122066	177.6
[M]+	228.14685142	177.4
[M]-	228.14794858	177.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.